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Problems when using CASPT2 method #265

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meng1027-wang opened this issue Feb 27, 2023 · 0 comments
Open

Problems when using CASPT2 method #265

meng1027-wang opened this issue Feb 27, 2023 · 0 comments

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@meng1027-wang
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Dear Developers,

I installed BAGEL. And I found that the following problem always occurs every time I start calculating using CASPT2 method, and the calculation seems to stop here. The first image is the end of the output file, and the second image is the error message prompted. Maybe anyone knows what's going on?
微信图片_20230225203048
微信图片_20230225203125
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@meng1027-wang